SCHEMBL4301854

SCHEMBL4301854

CC(C)(C)OC(=O)Nc1ccc(-c2cc(Cl)ncn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.56
CYP17A1 P05093 3/20 0.51
AAK1 Q2M2I8 3/20 0.50
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
PSMB8 P28062 1/20 0.48
SREBF2 Q12772 1/20 0.47
SMO Q99835 1/20 0.46
MAPKAPK2 P49137 3/20 0.45
CDK1 P06493 1/20 0.45
PRKDC P78527 1/20 0.43
CHRM1 P11229 1/20 0.43
EGLN2 Q96KS0 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29223830 0.83 CYP17A1 (0.52) MAP4K4CYP17A1EGFRSRCPSMB8
SCHEMBL15533892 0.82 KDM4E (0.56) SMO
SCHEMBL4620977 0.82 AAK1 (0.53) MAP4K4CYP17A1AAK1EGFRSRC
SCHEMBL4664375 0.82 NPC1 (0.53) MAP4K4CYP17A1EGFRSRCPSMB8
SCHEMBL5451118 0.81 MAP2K7 (0.51) MAP4K4CYP17A1MAPKAPK2CDK1
SCHEMBL12788367 0.80 CYP17A1 (0.57) MAP4K4CYP17A1AAK1EGFRSRC
SCHEMBL4665750 0.80 CYP1A2 (0.58) MAP4K4EGFR
SCHEMBL30252123 0.79 CYP17A1 (0.46) MAP4K4CYP17A1AAK1EGFRSRC
SCHEMBL17457689 0.79 CYP17A1 (0.46) MAP4K4CYP17A1AAK1EGFRSRC
SCHEMBL3183183 0.79 CYP17A1 (0.56) MAP4K4CYP17A1EGFRSRCSREBF2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598202-B2 Aryl-hydroxyethylamino-pyrimidines and triazines as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
EP-2254415-B1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 MAP4K4 3664/4885CYP17A1 2394/4885AAK1 998/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.